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6,7-bis(4-(9H-carbazol-9-yl)phenyl)quinoxalin-2(1H)-one

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DataCite Commons2025-03-16 更新2025-04-09 收录
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https://www.chemotion-repository.net/inchikey/CIDJKTRZYQJHMN-UHFFFAOYSA-N.1
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This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367]. The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]: InChI descriptor[cheminf_000113]: InChI=1S/C44H28N4O/c49-44-27-45-38-25-36(28-17-21-30(22-18-28)47-40-13-5-1-9-32(40)33-10-2-6-14-41(33)47)37(26-39(38)46-44)29-19-23-31(24-20-29)48-42-15-7-3-11-34(42)35-12-4-8-16-43(35)48/h1-27H,(H,46,49), and canonical SMILES descriptor[cheminf_000007]: O=c1cnc2c([nH]1)cc(c(c2)c1ccc(cc1)n1c2ccccc2c2c1cccc2)c1ccc(cc1)n1c2ccccc2c2c1cccc2, and by the IUPAC name[cheminf_000107]: . The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]: The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-29994 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]: Melting point descriptor[CHEMINF_000256]: Boiling point descriptor[CHEMINF_000257]: Refractive index descriptor[CHEMINF_000253]: The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]: CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR) CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR) CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) CHMO:0000470 | mass spectrometry (MS) CHMO:0000630 | infrared absorption spectroscopy (IR) The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: Used ontologies: CHEBI - Chemical Entities of Biological Interest CHEMINF - chemical information ontology (information entities about chemical entities) CHMO - Chemical Methods Ontology OBI - Ontology for Biomedical Investigations
提供机构:
chemotion-repository
创建时间:
2025-03-16
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